- InChI
- InChI=1S/C9H6ClNO2/c10-5-9(12)13-8-3-1-7(6-11)2-4-8/h1-4H,5H2
- InChI Key
- APQLVUNYVFVTPC-UHFFFAOYSA-N
- Formula
- C9H6ClNO2
- SMILES
- N#Cc1ccc(OC(=O)CCl)cc1
- Molecular Weight1
- 195.60
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 15.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.702 | Crippen Calculated Property | |
| McVol | 134.970 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1551.00] |
|
|
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Tboil | 652.78 | K | Joback Calculated Property |
| Tc | 889.03 | K | Joback Calculated Property |
| Tfus | 397.20 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.86; 341.22] | J/mol×K | [652.78; 889.03] |
|
| Cp,gas | 296.86 | J/mol×K | 652.78 | Joback Calculated Property |
| Cp,gas | 305.89 | J/mol×K | 692.15 | Joback Calculated Property |
| Cp,gas | 314.24 | J/mol×K | 731.53 | Joback Calculated Property |
| Cp,gas | 321.94 | J/mol×K | 770.90 | Joback Calculated Property |
| Cp,gas | 328.99 | J/mol×K | 810.28 | Joback Calculated Property |
| Cp,gas | 335.41 | J/mol×K | 849.65 | Joback Calculated Property |
| Cp,gas | 341.22 | J/mol×K | 889.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 4-cyanophenyl ester.
Sources
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